5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride

C21H27Cl2N3O2 — CID 120560598

IUPAC5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCC(C)N)ccc1Cl.Cl
InChIInChI=1S/C21H26ClN3O2.ClH/c1-3-25(14-16-7-5-4-6-8-16)21(27)18-13-17(10-11-19(18)22)24-20(26)12-9-15(2)23;/h4-8,10-11,13,15H,3,9,12,14,23H2,1-2H3,(H,24,26);1H
InChIKeyYVDDUPXTIDWQHG-UHFFFAOYSA-N
MW424.37 g/mol
LogP4.49
Rot. Bonds8

About 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride

5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride (PubChem CID 120560598) has the molecular formula C21H27Cl2N3O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
PubChem CID120560598
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.37 g/mol
Exact Mass423.15
IUPAC Name5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCC(C)N)ccc1Cl.Cl
InChIInChI=1S/C21H26ClN3O2.ClH/c1-3-25(14-16-7-5-4-6-8-16)21(27)18-13-17(10-11-19(18)22)24-20(26)12-9-15(2)23;/h4-8,10-11,13,15H,3,9,12,14,23H2,1-2H3,(H,24,26);1H
InChIKeyYVDDUPXTIDWQHG-UHFFFAOYSA-N
XLogP4.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide
CID 109468086
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The IUPAC name of 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride (CID 120560598) is 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride is CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCC(C)N)ccc1Cl.Cl.
What is the InChIKey of 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The InChIKey is YVDDUPXTIDWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2.ClH/c1-3-25(14-16-7-5-4-6-8-16)21(27)18-13-17(10-11-19(18)22)24-20(26)12-9-15(2)23;/h4-8,10-11,13,15H,3,9,12,14,23H2,1-2H3,(H,24,26);1H.
What are the key properties of 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride has a molecular weight of 424.37 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 120560598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).